SCHEMBL9033856

SCHEMBL9033856

CCCCOC(=O)c1nc2c(C)c(NC3NCCN3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 7/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL722367 0.66 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1KMT2ATSHR
SCHEMBL8305735 0.65 CYP1A2 (0.34) RAB9ANPC1ALDH1A1KMT2ATSHR
SCHEMBL8438884 0.64 SMN1; SMN2 (0.34) RAB9ANPC1ALDH1A1KMT2ALMNA
SCHEMBL14856081 0.61 LMNA (0.44) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL11390320 0.60 L3MBTL1 (0.46) RAB9ANPC1ALDH1A1TSHRLMNA
SCHEMBL6417593 0.60 TSHR (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL20553058 0.60 KDM4E (0.43) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6412627 0.59 NPC1 (0.49) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6418036 0.59 NPC1 (0.49) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL11232090 0.58 TUBB4A (0.47) RAB9AALDH1A1TSHRLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed